4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde

C12H19NO2 — CID 30030094

IUPAC4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCCc1c(C=O)c(C)n(CCOC)c1C
InChIInChI=1S/C12H19NO2/c1-5-11-9(2)13(6-7-15-4)10(3)12(11)8-14/h8H,5-7H2,1-4H3
InChIKeyPJILQIYWXVDHRS-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.13
Rot. Bonds5

About 4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde

4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 30030094) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID30030094
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCCc1c(C=O)c(C)n(CCOC)c1C
InChIInChI=1S/C12H19NO2/c1-5-11-9(2)13(6-7-15-4)10(3)12(11)8-14/h8H,5-7H2,1-4H3
InChIKeyPJILQIYWXVDHRS-UHFFFAOYSA-N
XLogP2.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde (CID 30030094) is 4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde is CCc1c(C=O)c(C)n(CCOC)c1C.
What is the InChIKey of 4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is PJILQIYWXVDHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-11-9(2)13(6-7-15-4)10(3)12(11)8-14/h8H,5-7H2,1-4H3.
What are the key properties of 4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde?
4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 209.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 30030094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).